Cas no 3124-38-7 (1-Butanol,3,3-dimethyl-, 1-carbamate)
3124-38-7 structure
Product Name:1-Butanol,3,3-dimethyl-, 1-carbamate
1-Butanol,3,3-dimethyl-, 1-carbamate Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanol,3,3-dimethyl-, 1-carbamate
- 3,3-dimethylbutyl carbamate
- CHEMBL2086989
- 3,3-Dimethyl-1-butanol carbamate
- 3124-38-7
- 1-BUTANOL, 3,3-DIMETHYL-, CARBAMATE
- SCHEMBL225621
- DTXSID80185162
- 3,3-Dimethyl-Butyl Carbamate
- Carbamic acid, 3,3-dimethylbutyl ester
- BRN 1903558
- AKOS006364660
- 3,3-Dimethylbutanol carbamate
-
- Inchi： 1S/C7H15NO2/c1-7(2,3)4-5-10-6(8)9/h4-5H2,1-3H3,(H2,8,9)
- InChI Key： DOBPAXBDQAYQMF-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CCC(C)(C)C
Computed Properties
- Exact Mass: 145.11035
- Monoisotopic Mass: 145.110279
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 52.3
Experimental Properties
- Density: 1.0708 (rough estimate)
- Boiling Point: 264.33°C (rough estimate)
- Flash Point: 92.7°C
- Refractive Index: 1.4638 (estimate)
- PSA: 52.32
1-Butanol,3,3-dimethyl-, 1-carbamate Related Literature
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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